BDBM114739 6-[methyl-(2- methyl-1- pyrimidin-2- yl- propyl)amino]- 4-oxo-1-[1-[6- (trifluoromethyl)- 3-pyridyl]- ethyl]-5H- pyrazolo[3,4- d]pyrimidine- 3-carbonitrile::US20260001888, Example 23

SMILES c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3

InChI Key InChIKey=WIYIHXHWMONCNB-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 114739   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 114739BDBM114739(6-[methyl-(2- methyl-1- pyrimidin-2- yl- propyl)am...)
Affinity DataKi:  0.600nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent